SCHEMBL2680908

SCHEMBL2680908

CCC(=O)C(C)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
FAAH O00519 2/20 0.44
STAT3 P40763 1/20 0.43
ALOX5 P09917 2/20 0.43
LMNA P02545 4/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 5/20 0.40
PTGS1 P23219 4/20 0.40
CYP2C9 P11712 2/20 0.40
AKR1C3 P42330 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
ALB P02768 1/20 0.40
ESR1 P03372 1/20 0.40
RARB P10826 1/20 0.40
ADRB3 P13945 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR2A P28223 1/20 0.40
NR1I3 Q14994 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29026696 0.85 FAAH (0.46) FAAHALOX5LMNAALDH1A1SMN1; SMN2
SCHEMBL16055954 0.82 GSK3B (0.48) ACHEFAAHSTAT3ALOX5LMNA
SCHEMBL13389325 0.81 ALDH1A1 (0.50) FAAHLMNAALDH1A1PTGS2
SCHEMBL11808143 0.81 ACHE (0.44) ACHESTAT3ALOX5LMNAALDH1A1
SCHEMBL3410010 0.81 ALDH1A1 (0.50) FAAHLMNAALDH1A1PTGS2
SCHEMBL28256616 0.81 ALDH1A1 (0.46) ACHESTAT3ALOX5LMNAALDH1A1
SCHEMBL5513880 0.79 ACHE (0.43) ACHESTAT3ALOX5LMNAALDH1A1
SCHEMBL5608844 0.79 MEN1 (0.49) LMNAALDH1A1SMN1; SMN2PTGS2PTGS1
SCHEMBL4558925 0.79 PTGS2 (0.67) ALDH1A1SMN1; SMN2PTGS2
SCHEMBL4481658 0.79 FAAH (0.72) FAAHALOX5LMNASMN1; SMN2PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300550-A Perfume systems 2011-12-28 CN claimed
US-8088346-B2 Alkene hydrofunctionalization reactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-01-03 US disclosed
US-8088346-B2 Alkene hydrofunctionalization reactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-01-03 US disclosed
EP-1303525-B1 PRODUCTION OF NOVEL PHOSPHANE LIGANDS AND USE IN CATALYTICAL REACTIONS EVONIK DEGUSSA GMBH (DE) 2010-09-08 EP disclosed
US-20090069580-A1 Alkene Hydrofunctionalization Reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 US disclosed
US-20090069580-A1 Alkene Hydrofunctionalization Reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090069580-A1 Alkene Hydrofunctionalization Reactions ADH1A, ADH1C, ADH5 ACHE 2281/4885FAAH 2736/4885STAT3 2955/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.